N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-5-pyridin-1-ium-1-yl-pentanamide

Systemtic Name: N-[(1S,2R)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-5-pyridin-1-ium-1-yl-pentanamide Openeye Name: N-[(1R,2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-5-pyridin-1-ium-1-yl-pentanamide CAS Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-5-(1-pyridin-1-iumyl)pentanamide IUPAC Name: N-[(1S,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-5-pyridin-1-ium-1-ylpentanamide Traditional Name: N-[(1R,2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-5-pyridin-1-ium-1-yl-valeramide Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(CO)NC(=O)CCCC[N+]2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]([C@@H](CO)NC(=O)CCCC[N+]2=CC=CC=C2)O

InChI

InChI=1S/C19H24N2O3/c22-15-17(19(24)16-9-3-1-4-10-16)20-18(23)11-5-8-14-21-12-6-2-7-13-21/h1-4,6-7,9-10,12-13,17,19,22,24H,5,8,11,14-15H2/p+1/t17-,19+/m1/s1